N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(3-chloro-2-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(3-chloro-2-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(3-chloro-2-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea
Compound characteristics
| Compound ID: | K788-6371 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-N'-(3-chloro-2-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)thiourea |
| Molecular Weight: | 573.67 |
| Molecular Formula: | C31 H42 Cl2 N4 S |
| Smiles: | CC(C)CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cccc(c1C)[Cl])=S)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 8.9475 |
| logD: | 6.6871 |
| logSw: | -6.7906 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.0121 |
| InChI Key: | CNGBIYXRTQZJOZ-UHFFFAOYSA-N |